MolNFT v1 · #83235 · protein
Crystal structure of C. albicans TRNA(HIS) guanylyltransferase (THG1) with GTP
3WC0 · Likely histidyl tRNA-specific guanylyltransferase: “Crystal structure of C. albicans TRNA(HIS) guanylyltransferase (THG1) with GTP”. X-ray diffraction, 2 ligands (GTP, MG), 20 pockets (best druggability 0.84). MolNFT v1 #83235 on…
- PDB
- 3WC0
- Type
- protein
- Length
- 4,124 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Likely histidyl tRNA-specific guanylyltransferase
- UniProt
- Q5AFK5
- Ligands
- GTP, MG
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, G, H, J, K, M, N, O | Likely histidyl tRNA-specific guanylyltransferase | protein | 265 | 51% helix, 16% strand | Q5AFK5 |
| E | Likely histidyl tRNA-specific guanylyltransferase | protein | 241 | 51% helix, 17% strand | Q5AFK5 |
| F, I, L, P | Likely histidyl tRNA-specific guanylyltransferase | protein | 242 | 50% helix, 17% strand | Q5AFK5 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 32 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
- MG · Magnesium ion · metal · 48 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.84 | 0.87 | 79 | empty |
| 2 | 794 | 0.83 | 0.86 | 79 | empty |
| 3 | 995 | 0.82 | 0.83 | 97 | empty |
| 4 | 1124 | 0.82 | 0.83 | 117 | empty |
| 5 | 1169 | 0.76 | 0.79 | 97 | GTP, MG |
Interfaces
37 interfaces between chains.
- E–F · 2330 Ų buried · 35 hydrogen bonds · protein-protein
- I–J · 2326 Ų buried · 35 hydrogen bonds · protein-protein
- M–N · 2285 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 2279 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 2274 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 3WC0 · Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with GTP · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q5AFK5
- Elsewhere: RCSB PDB 3WC0 · PDBe 3WC0 · UniProt Q5AFK5
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